“School of Physics”
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| Paper IPM / P / 8358 |
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| Abstract: | |||||||||||||||||||||||
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The equation of state (EOS) of Rb4C60 is determined by
high-pressure X-ray diffraction measurements. We observe an abrupt
jump in the compressibility of Rb4C60 between 0.5 and 0.8 GPa
which is attributed to a structural phase transition preserving
the tetragonal symmetry. Pressure effects on electronic density
are studied by measuring Compton profiles below and above the
transition. The ab initio calculation of the electronic structure
is used to obtain theoretical equation of state, which agrees well
with the experimental results. The calculations are used to
quantitatively identify different contributions to the Compton
profiles. In particular, we point out an unexpected contraction of
the C60 molecular volume under pressure which brings about
significant effects on the electronic density of Rb4C60
compound.
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